[4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine

C9H14F3N7 — CID 3041959

IUPAC[4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCN1CCN(c2nc(NN)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H14F3N7/c1-18-2-4-19(5-3-18)8-15-6(9(10,11)12)14-7(16-8)17-13/h2-5,13H2,1H3,(H,14,15,16,17)
InChIKeyLNKLXELEWJPPFJ-UHFFFAOYSA-N
MW277.25 g/mol
LogP-0.07
Rot. Bonds2

About [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine

[4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 3041959) has the molecular formula C9H14F3N7 and a molecular weight of 277.25 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID3041959
Molecular FormulaC9H14F3N7
Molecular Weight277.25 g/mol
Exact Mass277.13
IUPAC Name[4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCN1CCN(c2nc(NN)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H14F3N7/c1-18-2-4-19(5-3-18)8-15-6(9(10,11)12)14-7(16-8)17-13/h2-5,13H2,1H3,(H,14,15,16,17)
InChIKeyLNKLXELEWJPPFJ-UHFFFAOYSA-N
XLogP-0.07
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazin-2-amine, 4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041955
s-Triazine, 2-hydrazino-4-piperazinyl-6-(trifluoromethyl)-
CID 3041957
Piperazine, 1-acetyl-4-(4-hydrazino-6-(trifluoromethyl)-1,3,5-triazin-2-yl)-
CID 3041958
1,3,5-Triazin-2-amine, N,N-dimethyl-4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041964
4-Piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 112746487
2-Hydrazinyl-4-methyl-6-(piperazin-1-yl)-1,3,5-triazine
CID 71399539
[4-(4-Methylpiperazin-1-yl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]hydrazine
CID 110178431

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine (CID 3041959) is [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine is CN1CCN(c2nc(NN)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is LNKLXELEWJPPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N7/c1-18-2-4-19(5-3-18)8-15-6(9(10,11)12)14-7(16-8)17-13/h2-5,13H2,1H3,(H,14,15,16,17).
What are the key properties of [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine?
[4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 277.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 3041959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).